(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone

C12H8ClFO2S — CID 55051059

IUPAC(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClFO2S/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6H,1H3
InChIKeyIVWRCLCOCKEGIM-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.78
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone

(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 55051059) has the molecular formula C12H8ClFO2S and a molecular weight of 270.71 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID55051059
Molecular FormulaC12H8ClFO2S
Molecular Weight270.71 g/mol
Exact Mass269.99
IUPAC Name(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClFO2S/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6H,1H3
InChIKeyIVWRCLCOCKEGIM-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-amino-3,5-dimethoxyphenyl)-(5-chlorothiophen-2-yl)methanone
CID 112606193
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone (CID 55051059) is (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is IVWRCLCOCKEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2S/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone?
(5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 270.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 55051059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).